(3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol

C15H21N5O2 — CID 154780841

IUPAC(3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol
SMILESCC(Cc1ccccc1)n1nnnc1N(C)[C@@H]1COC[C@H]1O
InChIInChI=1S/C15H21N5O2/c1-11(8-12-6-4-3-5-7-12)20-15(16-17-18-20)19(2)13-9-22-10-14(13)21/h3-7,11,13-14,21H,8-10H2,1-2H3/t11?,13-,14-/m1/s1
InChIKeyFKSQFYCLBVCMTR-HIDCPEKUSA-N
MW303.37 g/mol
LogP0.67
Rot. Bonds5

About (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol

(3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol (PubChem CID 154780841) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol
PubChem CID154780841
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name(3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol
SMILESCC(Cc1ccccc1)n1nnnc1N(C)[C@@H]1COC[C@H]1O
InChIInChI=1S/C15H21N5O2/c1-11(8-12-6-4-3-5-7-12)20-15(16-17-18-20)19(2)13-9-22-10-14(13)21/h3-7,11,13-14,21H,8-10H2,1-2H3/t11?,13-,14-/m1/s1
InChIKeyFKSQFYCLBVCMTR-HIDCPEKUSA-N
XLogP0.67
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol (CID 154780841) is (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol is CC(Cc1ccccc1)n1nnnc1N(C)[C@@H]1COC[C@H]1O.
What is the InChIKey of (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol?
The InChIKey is FKSQFYCLBVCMTR-HIDCPEKUSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11(8-12-6-4-3-5-7-12)20-15(16-17-18-20)19(2)13-9-22-10-14(13)21/h3-7,11,13-14,21H,8-10H2,1-2H3/t11?,13-,14-/m1/s1.
What are the key properties of (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol?
(3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol has a molecular weight of 303.37 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[methyl-[1-(1-phenylpropan-2-yl)tetrazol-5-yl]amino]oxolan-3-ol is sourced from PubChem (CID 154780841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).